Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:00:45 UTC
Update Date2025-03-21 18:06:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00063933
Frequency48.2
Structure
Chemical FormulaC11H17N2O4+
Molecular Mass241.1183
SMILESNCc1ccc[n+](C2OC(CO)C(O)C2O)c1
InChI KeyWLLJTBUHOLFJCP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydroxypyridines
Direct Parent hydroxypyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • monosaccharides
  • organic cations
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • hydroxypyridine
  • monosaccharide
  • oxacycle
  • saccharide
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organic cation
  • primary alcohol
  • organooxygen compound